Table 2.
Energetic analysis of mutant 48G7 antibody–complex formations
| kcal/mol
|
||
|---|---|---|
| Germ line mutant | Mature mutant | |
| 〈ΔEelec〉 | −374.0 (2.5) | −370.0 (1.3) |
| 〈ΔEvdw〉 | −35.8 (0.5) | −35.4 (0.4) |
| 〈Emm〉 | −409.8 (2.4) | −405.4 (1.2) |
| ΔGnp | −4.3 (0.0) | −4.4 (0.0) |
| ΔGPB | 386.5 (2.2) | 374.6 (1.0) |
| ΔGsolv | 382.1 (2.2) | 370.3 (1.0) |
| ΔGelec,tot | 12.5 (0.9) | 4.6 (0.5) |
| ΔGtot | −27.7 (0.7) | −35.2 (0.5) |
In order to produce mutant germ line and mature antibodies with identical amino acid sequences, the following mutations were made: SerL30, AspL55, GluH42, AsnH56, AsnH76 → Ala and SerL34 → Gly in the germ line antibody; AsnL30, HisL55, LysH42, AspH56, LysH76, ThrH78 → Ala and ValH55, AspH65 → Gly in the mature antibody. See Table 1 legend for definitions of the energy components.